SCHEMBL24894697

SCHEMBL24894697

CC(C)(C)OC(=O)N1CCC[C@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE8B O95263 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29580055 1.00 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL28936078 0.96 PDE8B (0.47) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL31603219 0.92 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL30240594 0.86 ATM (0.45) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL10223192 0.85 LMNA (0.41) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL1861179 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL393307 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL1861180 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL29211166 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL585462 0.83 CHRM2 (0.40) ALDH1A1TSHRMEN1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed